Geometry & MOs

Info

ID:

112233

PubChem CID:

50399389

Reduced:

O4F5N5C35H38 (1)

Stoich.:

A4B5C5D35E38 (1)

Weight, g/mol:

533.300205

ΔHf, kcal/mol:

-387.81

Dipole, Da:

9.74

IP(EA), eV:

 -8.98(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(cyclohexylcarbamoyl)phenyl]-1-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=C(C=C3)C(F)(F)F)C(=O)NC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations